Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B6GF2D
|
|||
| Binder Name |
(4S)-5-Amino-4-[[(2S)-2-[[(2S,4S)-4-aminooxy-1-[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-1-[5-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]propanoyl]piperidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
|
|||
| Synonyms |
CHEMBL2372132
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C69H87N13O23S
|
|||
| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)N2C[C@H](C[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N)ON)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)CCCCNC(=S)NC5=CC6=C(C=C5)C(=O)OC67C8=C(C=C(C=C8)O)OC9=C7C=CC(=C9)O)O
|
|||
| InChI |
1S/C69H87N13O23S/c1-34(64(99)81-26-6-4-9-49(81)66(101)82-33-39(105-71)32-50(82)62(97)76-45(20-23-55(89)90)59(94)75-44(58(70)93)19-22-54(87)88)73-63(98)57(35(2)83)78-61(96)48-11-8-28-80(48)65(100)46(21-24-56(91)92)77-60(95)47-10-7-27-79(47)53(86)12-3-5-25-72-68(106)74-36-13-16-40-43(29-36)69(104-67(40)102)41-17-14-37(84)30-51(41)103-52-31-38(85)15-18-42(52)69/h13-18,29-31,34-35,39,44-50,57,83-85H,3-12,19-28,32-33,71H2,1-2H3,(H2,70,93)(H,73,98)(H,75,94)(H,76,97)(H,77,95)(H,78,96)(H,87,88)(H,89,90)(H,91,92)(H2,72,74,106)/t34-,35+,39-,44-,45-,46-,47-,48-,49-,50-,57-/m0/s1
|
|||
| InChIKey |
UWWKXCTWDRLLID-SGNSKUTMSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.